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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O6
Molecular Weight 346.3346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC

InChI

InChIKey=MCTRZKAKODSRLQ-UHFFFAOYSA-N
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3

HIDE SMILES / InChI

Molecular Formula C17H18N2O6
Molecular Weight 346.3346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:42:07 GMT 2025
Edited
by admin
on Mon Mar 31 22:42:07 GMT 2025
Record UNII
N8WQO7VQ30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Systematic Name English
BAY-A-4339
Preferred Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-dimethyl ester
Systematic Name English
NICARDIPINE RELATED COMPOUND C [USP-RS]
Common Name English
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
Systematic Name English
m-Nifedipine
Common Name English
Code System Code Type Description
PUBCHEM
89082
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-628-5
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
CAS
21881-77-6
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID40944479
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
RS_ITEM_NUM
1463268
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
FDA UNII
N8WQO7VQ30
Created by admin on Mon Mar 31 22:42:07 GMT 2025 , Edited by admin on Mon Mar 31 22:42:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY